3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H37N5O4 — CID 92620509

IUPAC3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN(CC)CC(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)C(C)C)CC3)C2=O)CC1
InChIInChI=1S/C22H37N5O4/c1-5-24(6-2)15-18(28)25-11-7-17(8-12-25)27-20(30)22(23-21(27)31)9-13-26(14-10-22)19(29)16(3)4/h16-17H,5-15H2,1-4H3,(H,23,31)
InChIKeyGLSIEGUTSKWEBJ-UHFFFAOYSA-N
MW435.57 g/mol
LogP0.89
Rot. Bonds6

About 3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 92620509) has the molecular formula C22H37N5O4 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID92620509
Molecular FormulaC22H37N5O4
Molecular Weight435.57 g/mol
Exact Mass435.28
IUPAC Name3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN(CC)CC(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)C(C)C)CC3)C2=O)CC1
InChIInChI=1S/C22H37N5O4/c1-5-24(6-2)15-18(28)25-11-7-17(8-12-25)27-20(30)22(23-21(27)31)9-13-26(14-10-22)19(29)16(3)4/h16-17H,5-15H2,1-4H3,(H,23,31)
InChIKeyGLSIEGUTSKWEBJ-UHFFFAOYSA-N
XLogP0.89
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 92620509) is 3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN(CC)CC(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)C(C)C)CC3)C2=O)CC1.
What is the InChIKey of 3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is GLSIEGUTSKWEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O4/c1-5-24(6-2)15-18(28)25-11-7-17(8-12-25)27-20(30)22(23-21(27)31)9-13-26(14-10-22)19(29)16(3)4/h16-17H,5-15H2,1-4H3,(H,23,31).
What are the key properties of 3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 435.57 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 92620509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).